4-methoxy-3-methyl-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide

C17H21NO6S — CID 39824469

IUPAC4-methoxy-3-methyl-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)c(OC)c2)cc1C
InChIInChI=1S/C17H21NO6S/c1-11-8-13(6-7-14(11)21-2)25(19,20)18-12-9-15(22-3)17(24-5)16(10-12)23-4/h6-10,18H,1-5H3
InChIKeyLZRDONGATGFNQP-UHFFFAOYSA-N
MW367.42 g/mol
LogP2.83
Rot. Bonds7

About 4-methoxy-3-methyl-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide

4-methoxy-3-methyl-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide (PubChem CID 39824469) has the molecular formula C17H21NO6S and a molecular weight of 367.42 g/mol. Its IUPAC name is 4-methoxy-3-methyl-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3-methyl-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide
PubChem CID39824469
Molecular FormulaC17H21NO6S
Molecular Weight367.42 g/mol
Exact Mass367.11
IUPAC Name4-methoxy-3-methyl-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)c(OC)c2)cc1C
InChIInChI=1S/C17H21NO6S/c1-11-8-13(6-7-14(11)21-2)25(19,20)18-12-9-15(22-3)17(24-5)16(10-12)23-4/h6-10,18H,1-5H3
InChIKeyLZRDONGATGFNQP-UHFFFAOYSA-N
XLogP2.83
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-3-methyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 126126840
4-methoxy-3-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 39824147
3,4,5-trimethoxy-N-(3-methoxy-4-methylphenyl)benzenesulfonamide
CID 18738997
N-(3-amino-4-methylphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 39439923
4-methoxy-N-[4-(2-methoxyethylamino)phenyl]-3-methylbenzenesulfonamide
CID 112980985
N-(3,5-dimethylphenyl)-3,4-dimethoxybenzenesulfonamide
CID 4828069
4-methoxy-N-[6-[(4-methoxy-3-methylphenyl)sulfonylamino]-2-pyridinyl]-3-methylbenzenesulfonamide
CID 71671343
4-methoxy-3-methyl-N-[2-(phenylsulfamoyl)phenyl]benzenesulfonamide
CID 75493365
N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 7354133
N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-3-methylbenzenesulfonamide
CID 28560482
N-(2-fluorophenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 40727137
5-bromo-2-methyl-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide
CID 8512676

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-3-methyl-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide (CID 39824469) is 4-methoxy-3-methyl-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-3-methyl-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-3-methyl-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)c(OC)c2)cc1C.
What is the InChIKey of 4-methoxy-3-methyl-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide?
The InChIKey is LZRDONGATGFNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO6S/c1-11-8-13(6-7-14(11)21-2)25(19,20)18-12-9-15(22-3)17(24-5)16(10-12)23-4/h6-10,18H,1-5H3.
What are the key properties of 4-methoxy-3-methyl-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide?
4-methoxy-3-methyl-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide has a molecular weight of 367.42 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 39824469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).